Glycoside
GD121786
Name:
2-{[4-(1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl)but-3-en-2-yl]oxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C25H44O13Smiles:
CC(C=CC1(O)C(C)(C)CC(O)CC1(C)O)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(O)C=CC1(O)C(C)(C)CC(O)CC1(C)OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | -2.74 | Num_rotatable_bonds: | 7 |
| MolWt: | 552.61 | Num_heavy_atoms: | 38 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD06644
Formula: C13H24O4
Smiles:
CC(O)C=CC1(O)C(C)(C)CC(O)CC1(C)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.33 | Num_heavy_atoms: | 17 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
